tert-butyl-[(Z)-3-[(4R,5S)-2,2-dimethyl-5-(2-methyl-1-phenylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]-3-iodoprop-2-enoxy]-diphenylsilane

C34H43IO3SSi — CID 10952552

IUPACtert-butyl-[(Z)-3-[(4R,5S)-2,2-dimethyl-5-(2-methyl-1-phenylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]-3-iodoprop-2-enoxy]-diphenylsilane
SMILESCC1(C)O[C@@H](C(C)(C)CSc2ccccc2)[C@H](/C(I)=C/CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C34H43IO3SSi/c1-32(2,3)40(27-19-13-9-14-20-27,28-21-15-10-16-22-28)36-24-23-29(35)30-31(38-34(6,7)37-30)33(4,5)25-39-26-17-11-8-12-18-26/h8-23,30-31H,24-25H2,1-7H3/b29-23-/t30-,31+/m0/s1
InChIKeyWLZMMYLZYMAMQA-GPSSFVHFSA-N
MW686.77 g/mol
LogP8.22
Rot. Bonds10

About tert-butyl-[(Z)-3-[(4R,5S)-2,2-dimethyl-5-(2-methyl-1-phenylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]-3-iodoprop-2-enoxy]-diphenylsilane

tert-butyl-[(Z)-3-[(4R,5S)-2,2-dimethyl-5-(2-methyl-1-phenylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]-3-iodoprop-2-enoxy]-diphenylsilane (PubChem CID 10952552) has the molecular formula C34H43IO3SSi and a molecular weight of 686.77 g/mol. Its IUPAC name is tert-butyl-[(Z)-3-[(4R,5S)-2,2-dimethyl-5-(2-methyl-1-phenylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]-3-iodoprop-2-enoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(Z)-3-[(4R,5S)-2,2-dimethyl-5-(2-methyl-1-phenylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]-3-iodoprop-2-enoxy]-diphenylsilane
PubChem CID10952552
Molecular FormulaC34H43IO3SSi
Molecular Weight686.77 g/mol
Exact Mass686.17
IUPAC Nametert-butyl-[(Z)-3-[(4R,5S)-2,2-dimethyl-5-(2-methyl-1-phenylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]-3-iodoprop-2-enoxy]-diphenylsilane
SMILESCC1(C)O[C@@H](C(C)(C)CSc2ccccc2)[C@H](/C(I)=C/CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1
InChIInChI=1S/C34H43IO3SSi/c1-32(2,3)40(27-19-13-9-14-20-27,28-21-15-10-16-22-28)36-24-23-29(35)30-31(38-34(6,7)37-30)33(4,5)25-39-26-17-11-8-12-18-26/h8-23,30-31H,24-25H2,1-7H3/b29-23-/t30-,31+/m0/s1
InChIKeyWLZMMYLZYMAMQA-GPSSFVHFSA-N
XLogP8.22
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500686.77
LogP ≤ 58.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl-diphenyl-[[(2S)-5-phenylsulfanyl-2,5-dihydrofuran-2-yl]methoxy]silane
CID 102001880
tert-butyl-[[(2R,3S,6S)-6-ethoxy-2-[(E)-4-phenylsulfanylbut-2-enyl]-3,6-dihydro-2H-pyran-3-yl]oxy]-diphenylsilane
CID 10460055

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(Z)-3-[(4R,5S)-2,2-dimethyl-5-(2-methyl-1-phenylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]-3-iodoprop-2-enoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(Z)-3-[(4R,5S)-2,2-dimethyl-5-(2-methyl-1-phenylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]-3-iodoprop-2-enoxy]-diphenylsilane (CID 10952552) is tert-butyl-[(Z)-3-[(4R,5S)-2,2-dimethyl-5-(2-methyl-1-phenylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]-3-iodoprop-2-enoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(Z)-3-[(4R,5S)-2,2-dimethyl-5-(2-methyl-1-phenylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]-3-iodoprop-2-enoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(Z)-3-[(4R,5S)-2,2-dimethyl-5-(2-methyl-1-phenylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]-3-iodoprop-2-enoxy]-diphenylsilane is CC1(C)O[C@@H](C(C)(C)CSc2ccccc2)[C@H](/C(I)=C/CO[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)O1.
What is the InChIKey of tert-butyl-[(Z)-3-[(4R,5S)-2,2-dimethyl-5-(2-methyl-1-phenylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]-3-iodoprop-2-enoxy]-diphenylsilane?
The InChIKey is WLZMMYLZYMAMQA-GPSSFVHFSA-N. The full InChI is InChI=1S/C34H43IO3SSi/c1-32(2,3)40(27-19-13-9-14-20-27,28-21-15-10-16-22-28)36-24-23-29(35)30-31(38-34(6,7)37-30)33(4,5)25-39-26-17-11-8-12-18-26/h8-23,30-31H,24-25H2,1-7H3/b29-23-/t30-,31+/m0/s1.
What are the key properties of tert-butyl-[(Z)-3-[(4R,5S)-2,2-dimethyl-5-(2-methyl-1-phenylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]-3-iodoprop-2-enoxy]-diphenylsilane?
tert-butyl-[(Z)-3-[(4R,5S)-2,2-dimethyl-5-(2-methyl-1-phenylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]-3-iodoprop-2-enoxy]-diphenylsilane has a molecular weight of 686.77 g/mol, XLogP of 8.22, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(Z)-3-[(4R,5S)-2,2-dimethyl-5-(2-methyl-1-phenylsulfanylpropan-2-yl)-1,3-dioxolan-4-yl]-3-iodoprop-2-enoxy]-diphenylsilane is sourced from PubChem (CID 10952552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).